LatentFlow: Visual Analytics for Latent Space Analysis in Molecular Graph Neural Networks

Chemists and materials scientists increasingly use machine learning models, such as graph neural networks (GNNs), to predict properties of molecules and the outcomes of their reactions. Beyond predictive performance, understanding how these models organize chemical information internally in their latent spaces, i.e., the embeddings of the molecules, is critical. Analyzing latent spaces helps diagnose model behavior and assess whether the learned embeddings are organized in ways that reflect meaningful chemical relationships. Unfortunately, existing methods provide limited support for analyzing latent spaces across layers and across different model states (e.g., training epochs, model configurations, and input data), making it difficult to understand how these latent spaces evolve throughout a model or relate to chemical concepts. We present LatentFlow, a visual analytics system developed in collaboration with a domain expert for analyzing latent spaces in molecular GNNs. LatentFlow groups embeddings into clusters and supports exploration of latent spaces by tracking how these clusters change across layers and model states using a modified Sankey diagram. To support interpretation, LatentFlow links these clusters to representative molecules and their shared substructures, and it allows scientists to introduce their own domain knowledge and compare it with the patterns found in the latent spaces. We evaluate LatentFlow through two case studies. The results show that LatentFlow helps scientists understand how latent spaces evolve, identify meaningful molecular patterns, and better interpret model behavior.

ImputeViz: A Visual Analytics Dashboard for Diagnosing Missing Data and Comparing Imputation Methods

Missing data is a persistent obstacle in scientific, social science, and public health research, often biasing analyses and placing accountability on analysts for how they handle missing values. We introduce ImputeViz, an integrated visual analytics dashboard that supports diagnosing missingness, configuring imputation models, and evaluating results. The system brings together widely used methods, including MICE, Random Forest, XGBoost, and kNN, within an interactive environment that makes missingness patterns explicit. To support geospatial reasoning, we introduce gKNN, a geographically informed kNN variant that blends socioeconomic and spatial distances and exposes donor contributions, enabling provenance-based visual accountability by showing which regions drive each estimate. Our primary contribution is a method-agnostic visual analytics environment that makes cross-method comparison a first-class visual task and integrates gKNN alongside standard methods. Coordinated views reveal missingness structure through heatmaps, co-missingness summaries, and distributional diagnostics that help analysts reason about missingness patterns (MCAR/MAR) and cases where missingness may be non-random (MNAR). Users can compare and tune models and interrogate results via distributional overlays, a Method Comparison Summary reporting MAE, RMSE, Delta RMSE, and runtime for each algorithm on the current target and mask, along with variable-level discrepancy views. Cached per-method results and locked axis scales reduce cognitive overhead from shifting ranges during method switching. These comparisons highlight where methods disagree, which variables are sensitive, and how imputation choices affect downstream summaries. Case studies demonstrate how ImputeViz helps analysts select effective strategies, surface sensitive variables, and assess model robustness.

From Interaction to Intent: Inferring User Objectives from Provenance Logs

The ability to automatically infer analytic intent from user interaction histories could enable interactive AI systems to proactively assist users during exploratory data analysis. In this paper, we examine whether provenance logs -- detailed records capturing sequences and timing of user interactions -- can be used to classify user intentions in visual exploration tasks. To investigate this, we record how participants interact with multiple multidimensional data projections across a range of analytic tasks, capturing fine-grained mouse interaction data throughout each session. We find that distinct behavioral signatures emerge across different analytic objectives. For instance, users examining properties of specific clusters exhibit markedly different interaction patterns compared to those searching for outliers. More importantly, we show that embedding contextual information into interaction provenance enables classifiers to predict user objectives that generalize across datasets and projection methods. These findings demonstrate that low-level interaction data can serve as a practical bridge to high-level analytic intent, contributing to the development of intent-aware visualization systems.

Interactive Analysis of Global Explanations using Aggregated Class Activation Maps for Network Data

Recent machine learning (ML) advances have demonstrated that deep learning (DL) achieves impressive results in different application domains, including the classification of computer network traffic to corresponding applications. However, the data frequently contains diverging patterns within a single predicted class. This presents a significant challenge to the ability to provide a clear and comprehensive explanation and emphasizes the necessity for tools capable of detecting and analyzing these patterns. Furthermore, the capacity to extract descriptive rules for classes is a crucial requirement in network traffic analysis and intrusion detection, particularly when leveraging advanced tools like next-generation firewalls. We provide a visual-interactive system that explains predictions of classes for network traffic. Global explanations derived from multiple samples of a given class contribute to understanding model predictions. Visualization of global explanations enables recognition of different patterns that offer experts a more comprehensive overview of its characteristics. We introduce a prototype that facilitates visual exploration and refinement of global explanations, enabling network experts to detect and refine new patterns for specific applications. These explanations support the identification of misleading features and the formulation of new rules for the management of networks. Our approach also aims at enabling ML experts to acquire new insights, including the possibility of separating or merging classes and the development of more accurate and reliable DL models. Our proposed prototype was evaluated by experts in machine learning and network analysis.

Scalable Semantic Steering of Embedding Projections

Low-dimensional projections support interactive visual analysis of high-dimensional data embeddings, but their structure often does not align with analyst-defined semantic relationships. Recent LLM-augmented semantic steering methods address this gap by externalizing analyst intent from user-defined groups of seed examples, but they propagate intent through per-item LLM reasoning, causing LLM calls and cost to grow linearly with collection size. We propose a scalable semantic steering method that shifts semantic computation from individual items to user-defined groups. A single LLM call generates structured profiles for all groups, which are embedded and combined with seed centroids to form hybrid semantic prototypes. The method then propagates intent without retraining, using embedding-space soft assignment, abstention, and alignment-scaled updates before reprojection. On a 5K-document LitCovid corpus, our method achieves global alignment comparable to per-item LLM steering while reducing LLM calls by over three orders of magnitude. An image case study shows that the same prototype-based mechanism extends to multimodal embeddings. These results suggest that group-level representations can make semantic steering more practical for larger embedding collections.

Understanding How Humans Inject Knowledge into Machine Learning Workflows through Visual Analytics

Visual analytics (VA) plays an increasingly important role in supporting machine learning (ML) workflows. In the field of visualization, such approaches and techniques are referred to as VIS4ML. While ML models are mostly learned automatically, the corresponding ML workflows receive a variety of human inputs, such as data labelling, feature engineering, model architecture designing, hyper-parameter tuning, and so on. In this work, we surveyed over 200 VIS4ML papers to gain an understanding of how humans inject their knowledge into ML workflows through interactive visualization. We collected a corpus of VIS4ML papers from the IEEE VIS conferences in the past decade. We developed a coding scheme to facilitate the literature research from four perspectives: characteristics of ML, visualization, interaction, and actions. The analysis of the coded dataset allows us to observe different pathways that transfer human knowledge to ML workflows via interactive visualization. Building on the analysis, we explain the phenomena of VIS4ML using the conceptual model that views VA as model building and the information-theoretic cost-benefit analysis that reasons VA as for optimizing ML workflows. This work provides unequivocal evidence showing the merits of using VA in ML workflows. The full list of surveyed papers, along with all analysis results and figures, is available at https://vis4ml4hd.github.io/ml-knowledge-inject-va/.

From Idea to Prototype in an Afternoon: Scaffolded, AI-Assisted Rapid VA Prototyping

Testing a new visual-analytics idea usually takes months: one needs to find a realistic data set, clean it, and implement an interactive prototype. We describe a case where a workflow language and an AI assistant reduced this effort to one afternoon. The idea under test: relax the Pareto frontier with a tolerance and group the surviving options into recurring types -- ``constellations'' on a ``soft sky''. Using the Artifact--Transform Workflow Language (ATWL) as a scaffold, we obtained a consistent workflow in minutes and a running prototype in a few hours. We derive three lessons. The scaffold matters: without ATWL the assistant produced a naive workflow. The scaffold alone is not enough: the first implementation was only average, and expert knowledge injection was needed to reach state-of-the-art quality. Finally, the way the scaffold is used matters: controlled experiments show that a language definition and a library of examples support different aspects of the task, that providing both at once reduces quality because template following displaces creative content, and that scaffolds work best when introduced after an initial unconstrained design pass. We argue that the field needs a typology of human knowledge injection, in a form that is both human-editable and machine-accessible.

Attention Dynamics in Diffusion Models: A Visual Analytics Framework for Human-AI Collaboration

Diffusion-based text-to-image models can synthesize complex and highly structured visual content, yet the emergence and evolution of semantic structure remain difficult to interpret. Many existing workflows rely on aggregated attention or scalar summaries that separate temporal change from image-space evidence. To address this gap, we present a visual analytics framework for exploring attention dynamics in diffusion models: the step-indexed evolution of token-level cross-attention maps, their temporal concentration, and their spatial relationships. Our approach enables structured analysis of attention behavior across generation steps by integrating quantitative measures with data-driven stage identification in an interactive workflow. Case studies on a structured 60-prompt Stable-Diffusion-class benchmark illustrate recurring, interpretable patterns within this setting and show how linked temporal and spatial views facilitate the observation and discussion of generative processes, supporting more effective human-AI collaboration.

A Multi-Attribute Latent Space for Visual Analysis of Watches

We present a design rationale, embedding model, and interactive visual-analysis system for exploring large wristwatch collections through heterogeneous visual and semantic attributes. The system addresses a common limitation of catalog and e-commerce interfaces: users can filter by metadata, but they receive little support for open-ended exploration of visual similarity, stylistic alternatives, and mixed aesthetic-functional criteria. We therefore represent watches with separate attribute graphs for dial color and dial design, while using watch type as an explicit semantic organizer. Dials are segmented with a U-Net, watch types are predicted with a Vision Transformer, colors are represented through a shared CIELAB reference palette, and dial structure is described with a gradient-based image descriptor. We extend UMAP by combining attribute-specific neighborhood graphs in a unified probabilistic objective and by adding a class-aware layout term that separates global type structure from local visual neighborhoods. The resulting map is exposed in an interactive interface with spatial navigation, metadata filtering, detail inspection, and search-by-example insertion. We evaluate the approach through parameter analysis, runtime measurements, and a qualitative pilot study with watch experts and novices. The results suggest that the system supports discovery and comparison, while also revealing limitations in scalability assessment, search-by-example validation, and the need for broader domain studies. We explicitly discuss these limitations and derive design implications for multi-attribute latent-space visualization across heterogeneous visual collections.

EvidenceLens: A Claim-Evidence Matrix for Auditing Financial Question Answering

Large language models are increasingly used to answer questions over annual reports, earnings decks, and analyst notes, yet their outputs remain difficult to verify in high-stakes financial workflows. A fluent answer can blend directly grounded statements, weak synthesis, and unsupported claims across narrative text, tables, and charts. We present EvidenceLens, a visual analytics prototype that treats financial question answering as a claim-evidence alignment problem. The system decomposes an answer into atomic claims, summarizes support composition and confidence, support gaps, and coordinates claim-level inspection with source passages, table cells, and chart regions. Its core visual representation is a multimodal claim-evidence matrix that makes coverage, contradiction, and modality imbalance immediately visible. To support reproducibility, we also specify a JSON-based artifact schema, a lightweight multimodal alignment pipeline, and a deterministic review-priority ranking that maps backend signals into an auditable visual structure. Through representative report-auditing scenarios, we show how EvidenceLens helps analysts distinguish grounded claims from overconfident synthesis that conventional chat interfaces flatten.

AI Supply Chain Galaxy: 3D Visual Analytics for License Compliance

The rapid proliferation of machine learning model reuse has transformed the AI ecosystem into a highly interconnected supply chain. Traditional compliance tools and static reports struggle to navigate these massive, multi-hop dependency networks. To address this, we present AI Supply Chain Galaxy (AISCG), an interactive 3D visual analytics system for model provenance and compliance auditing. AISCG maps models into a 3D spatial layout, integrating explicit structural dependencies with a rule-based compliance engine. It supports multi-scale exploration, from global community detection to localized, path-aware lineage tracing. We demonstrate its efficacy through an ecosystem-scale empirical analysis of 908,449 models from Hugging Face. Our findings reveal a concerning landscape: 55.46% of models exhibit compliance risks or metadata conflicts/omissions. We also identified distinct risk patterns, including a 56.67% license omission rate in adapter derivations and an 8.05% "license drift" rate in fine-tuning. Through a case study on the complex Llama model family, we show how AISCG empowers analysts to intuitively trace inherited restrictive terms and identify root causes across deep topological networks, significantly reducing the cognitive load of compliance auditing.

Orange Lab: Lowering Barriers to Data Mining through Embedded Interactive Workflows

While visual programming of data analysis workflows has become an important vehicle for the democratization of data science, such systems remain largely confined to standalone applications and offer limited support for transitioning their visual analytics solutions into interactive web environments. As a result, data analysis pipelines are difficult to share, embed, and adapt into user-facing analytical tools. We present Orange Lab, a web-based collaborative environment for visual data analytics. At its core, Orange Lab enables users to visually construct machine learning workflows from modular components, where interactions in any component propagate seamlessly through the workflow, turning static pipelines into dynamic, reactive systems that support exploration and data-driven storytelling. Our key contribution is component exposition, a paradigm that allows authors to embed selected workflow components, or parts of their interfaces, into arbitrary web contexts, creating synchronized, interactive interfaces while hiding underlying workflow complexity. This enables the development of tailored analytical views and narrative-driven experiences that integrate data analysis directly into online materials. We demonstrate the approach through deployments in data literacy education, where embedded components guide students in hands-on exploration of machine learning concepts without requiring knowledge of the underlying system, showing that Orange Lab effectively lowers barriers to entry and supports the democratization of data science.

DiffUNet^2: Bidirectional Prediction, Probabilistic Generation and Collaborative Visual Discovery for Scientific Data

Modeling temporal evolution is important to analyzing and reasoning about scientific phenomena, yet most machine learning methods provide deterministic forward predictions that overlook multiple plausible outcomes and rarely support backward reasoning, limiting their usefulness in practical scientific workflows. We present a framework that integrates diffusion-based generative modeling with interactive visual analytics for scientific exploration. We introduce DiffUNet^2, a conditional diffusion model that enables bidirectional, any-to-any generation across time and captures distributions of plausible system evolutions. Built upon the model, our interactive system supports branching timeline exploration, user-guided state editing, and probability-space navigation, enabling scientists to actively explore alternative hypotheses rather than passively observe predictions. We evaluate the model on 5 datasets across different scientific domains to validate its predictive accuracy and probability-space ensemble quality. In collaboration with domain experts, we demonstrate the effectiveness of our approach in supporting practical scientific temporal data analysis workflows. By integrating modeling and visual interaction, our approach enables scientists to interactively explore system dynamics, transforming generative models into tools for hypothesis-driven scientific analysis.